(6-chloro-2-pyridinyl)methanamine;dihydrochloride

C6H9Cl3N2 — CID 70701100

IUPAC(6-chloro-2-pyridinyl)methanamine;dihydrochloride
SMILESCl.Cl.NCc1cccc(Cl)n1
InChIInChI=1S/C6H7ClN2.2ClH/c7-6-3-1-2-5(4-8)9-6;;/h1-3H,4,8H2;2*1H
InChIKeyDQVXBCFIWAORLA-UHFFFAOYSA-N
MW215.51 g/mol
LogP2.04
Rot. Bonds1

About (6-chloro-2-pyridinyl)methanamine;dihydrochloride

(6-chloro-2-pyridinyl)methanamine;dihydrochloride (PubChem CID 70701100) has the molecular formula C6H9Cl3N2 and a molecular weight of 215.51 g/mol. Its IUPAC name is (6-chloro-2-pyridinyl)methanamine;dihydrochloride.

Molecular Properties

Compound Name(6-chloro-2-pyridinyl)methanamine;dihydrochloride
PubChem CID70701100
Molecular FormulaC6H9Cl3N2
Molecular Weight215.51 g/mol
Exact Mass213.98
IUPAC Name(6-chloro-2-pyridinyl)methanamine;dihydrochloride
SMILESCl.Cl.NCc1cccc(Cl)n1
InChIInChI=1S/C6H7ClN2.2ClH/c7-6-3-1-2-5(4-8)9-6;;/h1-3H,4,8H2;2*1H
InChIKeyDQVXBCFIWAORLA-UHFFFAOYSA-N
XLogP2.04
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.51
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-2-pyridinyl)methanamine;dihydrochloride?
The IUPAC name of (6-chloro-2-pyridinyl)methanamine;dihydrochloride (CID 70701100) is (6-chloro-2-pyridinyl)methanamine;dihydrochloride.
What is the SMILES notation for (6-chloro-2-pyridinyl)methanamine;dihydrochloride?
The canonical SMILES for (6-chloro-2-pyridinyl)methanamine;dihydrochloride is Cl.Cl.NCc1cccc(Cl)n1.
What is the InChIKey of (6-chloro-2-pyridinyl)methanamine;dihydrochloride?
The InChIKey is DQVXBCFIWAORLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2.2ClH/c7-6-3-1-2-5(4-8)9-6;;/h1-3H,4,8H2;2*1H.
What are the key properties of (6-chloro-2-pyridinyl)methanamine;dihydrochloride?
(6-chloro-2-pyridinyl)methanamine;dihydrochloride has a molecular weight of 215.51 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2-pyridinyl)methanamine;dihydrochloride is sourced from PubChem (CID 70701100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).